N-(2,4-dimethylphenyl)-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide

C17H17N3O4S — CID 20913989

IUPACN-(2,4-dimethylphenyl)-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc3[nH]c(=O)c(=O)[nH]c3cc2C)c(C)c1
InChIInChI=1S/C17H17N3O4S/c1-9-4-5-12(10(2)6-9)20-25(23,24)15-8-14-13(7-11(15)3)18-16(21)17(22)19-14/h4-8,20H,1-3H3,(H,18,21)(H,19,22)
InChIKeyMKIJKHSEMHOEDN-UHFFFAOYSA-N
MW359.41 g/mol
LogP1.94
Rot. Bonds3

About N-(2,4-dimethylphenyl)-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide

N-(2,4-dimethylphenyl)-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide (PubChem CID 20913989) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
PubChem CID20913989
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC NameN-(2,4-dimethylphenyl)-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc3[nH]c(=O)c(=O)[nH]c3cc2C)c(C)c1
InChIInChI=1S/C17H17N3O4S/c1-9-4-5-12(10(2)6-9)20-25(23,24)15-8-14-13(7-11(15)3)18-16(21)17(22)19-14/h4-8,20H,1-3H3,(H,18,21)(H,19,22)
InChIKeyMKIJKHSEMHOEDN-UHFFFAOYSA-N
XLogP1.94
TPSA111.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide?
The IUPAC name of N-(2,4-dimethylphenyl)-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide (CID 20913989) is N-(2,4-dimethylphenyl)-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide is Cc1ccc(NS(=O)(=O)c2cc3[nH]c(=O)c(=O)[nH]c3cc2C)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide?
The InChIKey is MKIJKHSEMHOEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c1-9-4-5-12(10(2)6-9)20-25(23,24)15-8-14-13(7-11(15)3)18-16(21)17(22)19-14/h4-8,20H,1-3H3,(H,18,21)(H,19,22).
What are the key properties of N-(2,4-dimethylphenyl)-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide?
N-(2,4-dimethylphenyl)-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide has a molecular weight of 359.41 g/mol, XLogP of 1.94, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide is sourced from PubChem (CID 20913989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).